SCHEMBL8770199

SCHEMBL8770199

CS(=O)(=O)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
ACLY P53396 1/20 0.43
PTGS1 P23219 1/20 0.41
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELAVL1 Q15717 1/20 0.40
ALOX5 P09917 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL537547 0.84 AKR1B1 (0.42) PTGS2
SCHEMBL4860115 0.84 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL937206 0.84 PTGS2 (0.61) PTGS2ACLYPTGS1RAB9AKMT2A
SCHEMBL29415408 0.84 PTGS2 (0.61) PTGS2ACLYPTGS1RAB9AKMT2A
SCHEMBL29700169 0.83 PTGS2 (0.52) PTGS2ACLYPTGS1RAB9AKMT2A
Hydrochloric Acid SCHEMBL7352630 0.82 PTGS2 (0.59) PTGS2ACLYPTGS1RAB9AKMT2A
SCHEMBL11133788 0.81 PTGS2 (0.39) PTGS2PTGS1RAB9AKMT2AL3MBTL1
SCHEMBL8909039 0.81 HNF4A (0.43) PTGS2
SCHEMBL8770061 0.81 PTGS2 (0.50) PTGS2ACLYPTGS1L3MBTL1
SCHEMBL4198455 0.80 PTGS2 (0.62) PTGS2ACLYPTGS1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP claimed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 WO claimed